| SpectraBase Spectrum ID |
Gfr3cCJObQp |
| Name |
Chloralose |
| CAS Registry Number |
15879-93-3 |
| Classification |
Pharmaceutical drug, hypnotic sedative |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
307.962121168 u |
| Formula |
C8H11Cl3O6 |
| InChI |
InChI=1S/C8H11Cl3O6/c9-8(10,11)7-16-5-3(14)4(2(13)1-12)15-6(5)17-7/h2-7,12-14H,1H2/t2-,3+,4-,5-,6-,7-/m1/s1 |
| InChIKey |
OJYGBLRPYBAHRT-IPQSZEQASA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
309.529 g/mol |
| Nominal Mass |
308 u |
| Quality |
925 |
| Retention Index |
2105 |
| SMILES |
O[C@]1([C@@]([C@@](CO)(O)[H])(O[C@]2([C@@]1(O[C@](O2)(C(Cl)(Cl)Cl)[H])[H])[H])[H])[H] |
| SPLASH |
splash10-022c-9820000000-562b02c3833b396a2179 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1,2-Didehydro-1-O,2-O-(2,2,2-trichlorethyliden)-D-glucitol |
| Technique |
GC/MS |
| Wiley ID |
DD2024_007781 |
